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General Questions and Answers / Re: EHT weighting scheme.
« on: October 7, 2013, 20:41 »
Thank you very much.
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2
General Questions and Answers / EHT weighting scheme.
« on: October 6, 2013, 19:04 »
Is it possible to input a new user defined weighting constant while using the Extended Huckel theory based calculator?
4
General Questions and Answers / Re: Band structure calculations of CNT - CNT junctions
« on: September 28, 2013, 18:01 »
Thank you very much! I understand. So then to calculate the band structure of such junctions I could start from a graphite unit cell and modify the Brillouin routes?
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General Questions and Answers / Band structure calculations of CNT - CNT junctions
« on: September 26, 2013, 21:46 »
Dear Quantumwise,
I have built a cnt-cnt junction by using the nanotube plugin. The gap between the CNTs is kept at 3.4 A.
I have tried to calculate the band structure for this device. However from the calculations I notice that the band structure is of the form of discrete lines, which is clearly not correct.
Can you please tell me where I went wrong?
I have built a cnt-cnt junction by using the nanotube plugin. The gap between the CNTs is kept at 3.4 A.
I have tried to calculate the band structure for this device. However from the calculations I notice that the band structure is of the form of discrete lines, which is clearly not correct.
Can you please tell me where I went wrong?
6
General Questions and Answers / IV characteristics
« on: June 2, 2013, 14:28 »
Hi! I am trying to define the iv characteristics of a device. For the forward bias I have used the code :
for bias in numpy.linspace(0.,0.5,50)*Volt:
device_configuration.setCalculator(
calculator(electrode_voltages=(0.5*bias,-0.5*bias)),
initial_state=device_configuration)
For the reverse bias, will it be okay to just change the code to (electrode_voltages=(-0.5*bias,0.5*bias) ?
for bias in numpy.linspace(0.,0.5,50)*Volt:
device_configuration.setCalculator(
calculator(electrode_voltages=(0.5*bias,-0.5*bias)),
initial_state=device_configuration)
For the reverse bias, will it be okay to just change the code to (electrode_voltages=(-0.5*bias,0.5*bias) ?
7
General Questions and Answers / Multi terminal devices
« on: May 17, 2013, 17:19 »
Is it possible to build a four terminal device using ATK? 
8
General Questions and Answers / Re: Building CNT-CNT junction.
« on: March 23, 2013, 15:29 »
So basically, I will be able to define such junctions as long as I keep the axis of the cnts perpendicular to the xy plane. Right?
9
General Questions and Answers / Re: Building CNT-CNT junction.
« on: March 20, 2013, 12:58 »
Dear reader,
I was able to solve the problem I had mentioned earlier and was able to build a CNT-CNT junction; however am unable to define the device electrodes.
The problem reported is, the atomic position mismatch between the central region and the left electrode region.
(The screenshot: http://farm9.staticflickr.com/8237/8573593859_b531eba5b8_h.jpg)
I have approached this by translating the entire structure by the difference between the 'current' and the 'required' coordinates.
But this does not solve the problem.
Kindly suggest some approaches.
I was able to solve the problem I had mentioned earlier and was able to build a CNT-CNT junction; however am unable to define the device electrodes.
The problem reported is, the atomic position mismatch between the central region and the left electrode region.
(The screenshot: http://farm9.staticflickr.com/8237/8573593859_b531eba5b8_h.jpg)
I have approached this by translating the entire structure by the difference between the 'current' and the 'required' coordinates.
But this does not solve the problem.
Kindly suggest some approaches.
10
General Questions and Answers / Building CNT-CNT junction.
« on: March 18, 2013, 13:47 »
Dear Reader,
I want to build a metallic CNT-CNT cross junction device using the builder module present in the VNL (Ver 12.8 )
However I have no clue as to how one should proceed.
Kindly suggest appropriate approaches or inform of tutorials if available.
(The structure I am trying to build is of the type : http://farm9.staticflickr.com/8250/8568652796_48ebcb5057_b.jpg)
I want to build a metallic CNT-CNT cross junction device using the builder module present in the VNL (Ver 12.8 )
However I have no clue as to how one should proceed.
Kindly suggest appropriate approaches or inform of tutorials if available.
(The structure I am trying to build is of the type : http://farm9.staticflickr.com/8250/8568652796_48ebcb5057_b.jpg)
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